4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide

C27H28F2N2O3 — CID 135306711

IUPAC4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(NC(=O)Cc3ccc(C(F)(F)[C@H](C)O)cc3)cc2)c1
InChIInChI=1S/C27H28F2N2O3/c1-17-13-18(2)15-24(14-17)31(4)26(34)21-7-11-23(12-8-21)30-25(33)16-20-5-9-22(10-6-20)27(28,29)19(3)32/h5-15,19,32H,16H2,1-4H3,(H,30,33)/t19-/m0/s1
InChIKeyQAWBNWNQYUIWRE-IBGZPJMESA-N
MW466.53 g/mol
LogP5.23
Rot. Bonds7

About 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide

4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide (PubChem CID 135306711) has the molecular formula C27H28F2N2O3 and a molecular weight of 466.53 g/mol. Its IUPAC name is 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide
PubChem CID135306711
Molecular FormulaC27H28F2N2O3
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(NC(=O)Cc3ccc(C(F)(F)[C@H](C)O)cc3)cc2)c1
InChIInChI=1S/C27H28F2N2O3/c1-17-13-18(2)15-24(14-17)31(4)26(34)21-7-11-23(12-8-21)30-25(33)16-20-5-9-22(10-6-20)27(28,29)19(3)32/h5-15,19,32H,16H2,1-4H3,(H,30,33)/t19-/m0/s1
InChIKeyQAWBNWNQYUIWRE-IBGZPJMESA-N
XLogP5.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 157103639
4-[[2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetyl]amino]-N-(2-fluoro-5-methylphenyl)-N-methylbenzamide
CID 126649580
N-(2-chloro-6-methylphenyl)-4-[[2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetyl]amino]-N-methylbenzamide
CID 135306708
4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 147984854
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-[[2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetyl]amino]-N-methylbenzamide
CID 135306696
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-N-[4-[3-[1-(2,4-dimethylphenyl)ethoxy]pyrazin-2-yl]phenyl]acetamide
CID 146440999
[1-[4-[2-[4-[(2-chloro-4-methylphenyl)-methylcarbamoyl]anilino]-2-oxoethyl]phenyl]-1,1-difluoropropan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 135306673
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide
CID 118395867

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide (CID 135306711) is 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide is Cc1cc(C)cc(N(C)C(=O)c2ccc(NC(=O)Cc3ccc(C(F)(F)[C@H](C)O)cc3)cc2)c1.
What is the InChIKey of 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The InChIKey is QAWBNWNQYUIWRE-IBGZPJMESA-N. The full InChI is InChI=1S/C27H28F2N2O3/c1-17-13-18(2)15-24(14-17)31(4)26(34)21-7-11-23(12-8-21)30-25(33)16-20-5-9-22(10-6-20)27(28,29)19(3)32/h5-15,19,32H,16H2,1-4H3,(H,30,33)/t19-/m0/s1.
What are the key properties of 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide?
4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide has a molecular weight of 466.53 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 135306711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).